SCHEMBL2223648

SCHEMBL2223648

CCN[C@@H]1CCN(c2ncccc2C(=O)OC(C)C)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.59
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 1/20 0.46
KMT2A Q03164 1/20 0.44
CHIA Q9BZP6 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2222498 1.00 OPRK1 (0.59) OPRK1MAPTLMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL2222939 0.99 OPRK1 (0.58) OPRK1MAPTLMNAKDM4EPOLB
Hydrochloric Acid SCHEMBL14632635 0.99 OPRK1 (0.58) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL12517307 0.90 OPRK1 (0.55) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2224091 0.89 OPRK1 (0.55) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2223904 0.88 OPRK1 (0.54) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2221810 0.88 MAPT (0.57) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2222580 0.87 OPRK1 (0.52) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2223782 0.86 OPRK1 (0.51) OPRK1MAPTLMNAKDM4EPOLB
SCHEMBL2356041 0.84 OPRK1 (0.49) OPRK1MAPTLMNAKDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
CN-102802627-A Voltage-gated sodium channel blockers GLAXO GROUP LTD 2012-11-28 CN disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B OPRK1 467/4885MAPT 1880/4885LMNA 611/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 OPRK1 523/4885MAPT 2771/4885LMNA 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.